Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Ir-La-O”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

3 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on La3Ir3O11 by Materials Project

La3Ir3O11 crystallizes in the cubic Pn-3 space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are two shorter (2.40 Å) and six longer (2.58 Å) La–O bond lengths. In the second La3+ site, La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.34–2.85 Å. Ir+4.33+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing IrO6 octahedra. The corner-sharing octahedral tilt angles are 53°. There are four shorter (2.00 Å) and two longer (2.04 Å) Ir–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four La3+ atoms to form OLa4 tetrahedra that share a cornercorner with one OLa4 tetrahedra, corners with nine equivalent OLa2Ir2 trigonal pyramids, edges with three equivalent OLa4 tetrahedra, and edges with three equivalent OLa2Ir2 trigonal pyramids. In the second O2- site, O2- is bonded in a distorted water-like geometry to two equivalent La3+ and two equivalent Ir+4.33+ atoms. In the third O2- site, O2- is bonded to two La3+ and two equivalent Ir+4.33+ atoms to form distorted OLa2Ir2 trigonal pyramids that share corners with three equivalent OLa4 tetrahedra, corners with nine equivalent OLa2Ir2 trigonal pyramids, an edgeedge with one OLa4 tetrahedra, and edges with two equivalent OLa2Ir2 trigonal pyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La3IrO7 by Materials Project

La3IrO7 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.42 Å) and four longer (2.80 Å) La–O bond lengths. In the second La3+ site, La3+ is bonded to seven O2- atoms to form distorted LaO7 pentagonal bipyramids that share corners with two equivalent IrO6 octahedra, corners with three equivalent LaO7 pentagonal bipyramids, edges with two equivalent IrO6 octahedra, and edges with two equivalent LaO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 32°. There are a spread of La–O bond distances ranging from 2.34–2.60 Å. Ir5+ is bonded to six O2- atoms to form IrO6 octahedra that share corners with two equivalent IrO6 octahedra, corners with four equivalent LaO7 pentagonal bipyramids, and edges with four equivalent LaO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 38°. There are four shorter (2.00 Å) and two longer (2.02 Å) Ir–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three La3+ and one Ir5+ atom. In the second O2- site, O2- is bonded to four La3+ atoms to form a mixture of corner and edge-sharing OLa4 tetrahedra. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent La3+ and two equivalent Ir5+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La3IrO7 by Materials Project

La3IrO7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are six inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.44–2.81 Å. In the second La3+ site, La3+ is bonded in a 6-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.32–2.96 Å. In the third La3+ site, La3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of La–O bond distances ranging from 2.36–2.68 Å. In the fourth La3+ site, La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.46–2.95 Å. In the fifth La3+ site, La3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of La–O bond distances ranging from 2.38–2.60 Å. In the sixth La3+ site, La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.37–2.79 Å. There are two inequivalent Ir5+ sites. In the first Ir5+ site, Ir5+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Ir–O bond distances ranging from 1.93–2.07 Å. In the second Ir5+ site, Ir5+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Ir–O bond distances ranging from 1.96–2.07 Å. There are fourteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three La3+ and one Ir5+ atom. In the second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three La3+ and one Ir5+ atom. In the third O2- site, O2- is bonded to three La3+ and one Ir5+ atom to form distorted OLa3Ir trigonal pyramids that share corners with two OLa4 tetrahedra and an edgeedge with one OLa3Ir trigonal pyramid. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to four La3+ and one Ir5+ atom. In the fifth O2- site, O2- is bonded in a 5-coordinate geometry to four La3+ and one Ir5+ atom. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to three equivalent La3+ and one Ir5+ atom. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to three La3+ and one Ir5+ atom. In the eighth O2- site, O2- is bonded in a 4-coordinate geometry to three La3+ and one Ir5+ atom. In the ninth O2- site, O2- is bonded in a 4-coordinate geometry to three La3+ and one Ir5+ atom. In the tenth O2- site, O2- is bonded in a 5-coordinate geometry to four La3+ and one Ir5+ atom. In the eleventh O2- site, O2- is bonded in a 4-coordinate geometry to three La3+ and one Ir5+ atom. In the twelfth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent La3+ and one Ir5+ atom. In the thirteenth O2- site, O2- is bonded to four La3+ atoms to form OLa4 tetrahedra that share a cornercorner with one OLa3Ir trigonal pyramid and edges with two equivalent OLa4 tetrahedra. In the fourteenth O2- site, O2- is bonded to four La3+ atoms to form OLa4 tetrahedra that share a cornercorner with one OLa3Ir trigonal pyramid and edges with two equivalent OLa4 tetrahedra.

36 MATERIALS SCIENCE↗